N-{[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
N-{[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
N-{[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L754-0625 |
| Compound Name: | N-{[4-(3-methylbenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C27 H28 N2 O3 |
| Smiles: | CC(N(Cc1ccc2c(CN(CCO2)C(c2cccc(C)c2)=O)c1)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5605 |
| logD: | 4.5605 |
| logSw: | -4.4054 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.921 |
| InChI Key: | CEQLILHGJOVTPK-UHFFFAOYSA-N |